[3-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-3-oxidanylidene-propyl]-diethyl-azanium

Systemtic Name: [3-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-3-oxidanylidene-propyl]-diethyl-azanium Openeye Name: diethyl-[3-[[(1S)-isochroman-1-yl]methylamino]-3-oxo-propyl]ammonium CAS Name: [3-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methylamino]-3-oxopropyl]-diethylammonium IUPAC Name: [3-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-3-oxopropyl]-diethylazanium Traditional Name: diethyl-[3-[[(1S)-isochroman-1-yl]methylamino]-3-keto-propyl]ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC(=O)NCC1C2=CC=CC=C2CCO1

Isomeric SMILES

CC[NH+](CC)CCC(=O)NC[C@@H]1C2=CC=CC=C2CCO1

InChI

InChI=1S/C17H26N2O2/c1-3-19(4-2)11-9-17(20)18-13-16-15-8-6-5-7-14(15)10-12-21-16/h5-8,16H,3-4,9-13H2,1-2H3,(H,18,20)/p+1/t16-/m1/s1